Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 3/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 7/20 | 0.40 |
| ▸ | PPARD | Q03181 | 4/20 | 0.40 |
| ▸ | PPARG | P37231 | 8/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5501943 | 0.88 | PPARG (0.47) | ACACBMMP2MMP9PPARAPPARD | |
| SCHEMBL5496562 | 0.83 | PPARD (0.52) | PPARAPPARDPPARGCYP2C9CYP1A2 | |
| SCHEMBL5486694 | 0.77 | PPARD (0.54) | PPARAPPARDPPARG | |
| SCHEMBL5483759 | 0.77 | PPARD (0.63) | PPARAPPARD | |
| SCHEMBL3072202 | 0.76 | CYP2C9 (0.59) | PPARAPPARGCYP2C9CYP1A2GAA | |
| SCHEMBL5497621 | 0.73 | EPHX2 (0.46) | PPARAPPARDPPARGCYP2C9CYP1A2 | |
| SCHEMBL5487400 | 0.72 | PPARD (0.44) | PPARAPPARDPPARGCYP1A2ALOX5 | |
| SCHEMBL5484788 | 0.72 | PPARD (0.50) | PPARAPPARD | |
| SCHEMBL11304140 | 0.72 | CYP2C9 (0.54) | PPARAPPARGCYP2C9CYP1A2GAA | |
| SCHEMBL25170018 | 0.70 | FFAR1 (0.50) | ACACBMMP2CYP2C9CYP1A2CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765760-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-28 | — | — | EP | claimed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | claimed |